Please use this identifier to cite or link to this item: http://lib.jncasr.ac.in:8080/jspui/handle/10572/2040
Title: Unraveling the success and failure of mode coupling theory from consideration of entropy
Authors: Nandi, Manoj Kumar
Banerjee, Atreyee
Sengupta, Shiladitya
Sastry, Srikanth
Bhattacharyya, Sarika Maitra
Keywords: Physical Chemistry
Atomic, Molecular & Chemical Physics
Glass-Forming Liquids
Potential-Energy Surface
Universal Scaling Law
Supercooled Liquids
Configurational Entropy
Relevant Points
Molecular-Dynamics
Transition
Diffusion
Quasisaddles
Issue Date: 2015
Publisher: American Institute of Physics
Citation: Journal of Chemical Physics
143
17
Nandi, M. K.; Banerjee, A.; Sengupta, S.; Sastry, S.; Bhattacharyya, S. M., Unraveling the success and failure of mode coupling theory from consideration of entropy. Journal of Chemical Physics 2015, 143 (17), 11.
Abstract: We analyze the dynamics of model supercooled liquids in a temperature regime where predictions of mode coupling theory (MCT) are known to be valid qualitatively. In this regime, the Adam-Gibbs (AG) relation, based on an activation picture of dynamics, also describes the dynamics satisfactorily, and we explore the mutual consistency and interrelation of these descriptions. Although entropy and dynamics are related via phenomenological theories, the connection between MCT and entropy has not been argued for. In this work, we explore this connection and provide a microscopic derivation of the phenomenological Rosenfeld theory. At low temperatures, the overlap between the MCT power law regime and AG relation implies that the AG relation predicts an avoided divergence at T-c, the origin of which can be related to the vanishing of pair configurational entropy, which we find occurring at the same temperature. We also show that the residual multiparticle entropy plays an important role in describing the relaxation time. (C) 2015 AIP Publishing LLC.
Description: Restricted access
URI: http://hdl.handle.net/10572/2040
ISSN: 0021-9606
Appears in Collections:Research Articles (Srikanth Sastry)

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